SCHEMBL249258

SCHEMBL249258

CCC(C)c1cccc(C(C)C)c1OC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
TSHR P16473 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL249257 1.00 SCN5A (0.47) SCN5ASCN9ASCN10ATSHR
SCHEMBL561223 0.95 TSHR (0.47) SCN5ASCN9ASCN10ATSHR
SCHEMBL2016482 0.88 SCN5A (0.48) SCN5ASCN9ASCN10A
SCHEMBL27799993 0.81
SCHEMBL28748508 0.79 SCN5A (0.40) SCN5ASCN9ASCN10A
SCHEMBL6838437 0.78 TSHR (0.50) TSHR
SCHEMBL19236578 0.76 TSHR (0.47) SCN5ASCN9ASCN10ATSHR
SCHEMBL6023367 0.76 TSHR (0.44) TSHR
SCHEMBL17533289 0.76 SCN5A (0.39) SCN5ASCN9ASCN10A
SCHEMBL17533287 0.76 SCN5A (0.39) SCN5ASCN9ASCN10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP claimed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP disclosed